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#$Date: 2013-05-02 17:56:40 +0300 (Thu, 02 May 2013) $
#$Revision: 83887 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/51/06/1510647.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1510647
loop_
_publ_author_name
'Hammerschmidt, A.'
'Krebs, B.'
'Koester, C.'
'Lindemann, A.'
'Doech, M.'
_publ_section_title
;
 2D-polymeric anion networks: the two novel perselenoborates Ba B2 Se6 and
 Ba2 B4 Se13
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              1561
_journal_page_last               1567
_journal_volume                  628
_journal_year                    2002
_chemical_formula_sum            'B2 Ba Se6'
_chemical_name_systematic        'Ba ((B Se2)2 Se2)'
_space_group_IT_number           64
_symmetry_space_group_name_Hall  '-C 2ac 2'
_symmetry_space_group_name_H-M   'C m c a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.326
_cell_length_b                   7.6587
_cell_length_c                   10.315
_cell_volume                     894.748
_citation_journal_id_ASTM        ZAACAB
_[local]_cod_data_source_file    boron_13.cif
_[local]_cod_data_source_block   B2Ba1Se6
_[local]_cod_chemical_formula_sum_orig 'B2 Ba1 Se6'
_cod_original_cell_volume        894.7482
_cod_database_code               1510647
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,-y,z+1/2
x,-y,-z
-x+1/2,y,-z+1/2
-x,-y,-z
x-1/2,y,-z-1/2
-x,y,z
x-1/2,-y,z-1/2
x+1/2,y+1/2,z
-x+1,-y+1/2,z+1/2
x+1/2,-y+1/2,-z
-x+1,y+1/2,-z+1/2
-x+1/2,-y+1/2,-z
x,y+1/2,-z-1/2
-x+1/2,y+1/2,z
x,-y+1/2,z-1/2
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
Se2 Se-2 0 0.10117 0.63854 1 0.0
Ba1 Ba+2 0.5 0 0.5 1 0.0
Se1 Se-1 0.20992 0.18546 0.40588 1 0.0
B1 B+3 0.1135 0 0.5 1 0.0